N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide

C14H22N2O3S — CID 113094478

IUPACN,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13(17)15(4)11-7-9-12(10-8-11)16(5)20(6,18)19/h7-10H,1-6H3
InChIKeyLAJMECGLTOEPED-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds3

About N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide

N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide (PubChem CID 113094478) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
PubChem CID113094478
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc(N(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-14(2,3)13(17)15(4)11-7-9-12(10-8-11)16(5)20(6,18)19/h7-10H,1-6H3
InChIKeyLAJMECGLTOEPED-UHFFFAOYSA-N
XLogP2.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 977789
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094497
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-2-(2-methylphenyl)acetamide
CID 113094525
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylmethanesulfonamide
CID 10154925
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
4-[methyl(methylsulfonyl)amino]benzenesulfonyl chloride
CID 19080175
[4-[methyl(methylsulfonyl)amino]phenyl] 3-methylbut-2-enoate
CID 47243595
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide (CID 113094478) is N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide is CN(C(=O)C(C)(C)C)c1ccc(N(C)S(C)(=O)=O)cc1.
What is the InChIKey of N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide?
The InChIKey is LAJMECGLTOEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2,3)13(17)15(4)11-7-9-12(10-8-11)16(5)20(6,18)19/h7-10H,1-6H3.
What are the key properties of N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide?
N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide has a molecular weight of 298.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]propanamide is sourced from PubChem (CID 113094478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).